3-fluoro-3-[5-[2-(2-methylpropyl)pyrazol-3-yl]-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile

C21H24FN5O — CID 130345237

IUPAC3-fluoro-3-[5-[2-(2-methylpropyl)pyrazol-3-yl]-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile
SMILESCC(C)Cn1nccc1-c1ccc2c(c1)CCN2C(=O)C1(F)CCN(C#N)C1
InChIInChI=1S/C21H24FN5O/c1-15(2)12-27-19(5-8-24-27)16-3-4-18-17(11-16)6-9-26(18)20(28)21(22)7-10-25(13-21)14-23/h3-5,8,11,15H,6-7,9-10,12-13H2,1-2H3
InChIKeyDGSYYSKEZWTFCF-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.99
Rot. Bonds4

About 3-fluoro-3-[5-[2-(2-methylpropyl)pyrazol-3-yl]-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile

3-fluoro-3-[5-[2-(2-methylpropyl)pyrazol-3-yl]-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile (PubChem CID 130345237) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-fluoro-3-[5-[2-(2-methylpropyl)pyrazol-3-yl]-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile.

Molecular Properties

Compound Name3-fluoro-3-[5-[2-(2-methylpropyl)pyrazol-3-yl]-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile
PubChem CID130345237
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name3-fluoro-3-[5-[2-(2-methylpropyl)pyrazol-3-yl]-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile
SMILESCC(C)Cn1nccc1-c1ccc2c(c1)CCN2C(=O)C1(F)CCN(C#N)C1
InChIInChI=1S/C21H24FN5O/c1-15(2)12-27-19(5-8-24-27)16-3-4-18-17(11-16)6-9-26(18)20(28)21(22)7-10-25(13-21)14-23/h3-5,8,11,15H,6-7,9-10,12-13H2,1-2H3
InChIKeyDGSYYSKEZWTFCF-UHFFFAOYSA-N
XLogP2.99
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 3-fluoro-3-[5-[2-(2-methylpropyl)pyrazol-3-yl]-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-Dimethylpyrazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 24790949
1-(2,3-Dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one
CID 24793689
1-[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]indoline
CID 1225706
1-(2,3-Dihydroindol-1-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 9551373
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 16189902
(S)-1-((3R,4R)-1-(4-(1-methyl-1H-pyrazol-5-yl)benzyl)-3-aminopyrrolidine-4-carbonyl)pyrrolidine-2-carbonitrile
CID 44443348
1-(2-Methyl-2,3-dihydroindol-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 24790940
1-(2,3-Dihydroindol-1-yl)-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 24790998
1-[3-(3-methyl-1H-pyrazol-1-yl)butanoyl]indoline
CID 24791001
1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]indoline
CID 24792824
1-[3-(3-methyl-1H-pyrazol-1-yl)propanoyl]indoline
CID 24792825
2-methyl-1-[3-(3-methyl-1H-pyrazol-1-yl)propanoyl]indoline
CID 24793569

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[5-[2-(2-methylpropyl)pyrazol-3-yl]-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile?
The IUPAC name of 3-fluoro-3-[5-[2-(2-methylpropyl)pyrazol-3-yl]-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile (CID 130345237) is 3-fluoro-3-[5-[2-(2-methylpropyl)pyrazol-3-yl]-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile.
What is the SMILES notation for 3-fluoro-3-[5-[2-(2-methylpropyl)pyrazol-3-yl]-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile?
The canonical SMILES for 3-fluoro-3-[5-[2-(2-methylpropyl)pyrazol-3-yl]-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile is CC(C)Cn1nccc1-c1ccc2c(c1)CCN2C(=O)C1(F)CCN(C#N)C1.
What is the InChIKey of 3-fluoro-3-[5-[2-(2-methylpropyl)pyrazol-3-yl]-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile?
The InChIKey is DGSYYSKEZWTFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-15(2)12-27-19(5-8-24-27)16-3-4-18-17(11-16)6-9-26(18)20(28)21(22)7-10-25(13-21)14-23/h3-5,8,11,15H,6-7,9-10,12-13H2,1-2H3.
What are the key properties of 3-fluoro-3-[5-[2-(2-methylpropyl)pyrazol-3-yl]-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile?
3-fluoro-3-[5-[2-(2-methylpropyl)pyrazol-3-yl]-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile has a molecular weight of 381.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[5-[2-(2-methylpropyl)pyrazol-3-yl]-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile is sourced from PubChem (CID 130345237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).